Density functional theory for differential capacitance of planar electric double layers in ionic liquids

Journal Article · Sat Jan 01 00:00:00 EST 2011 · Chemical Physics Letters

DOI:https://doi.org/10.1016/j.cplett.2011.01.072· OSTI ID:1011013

Jiang, Deen ^[1]; Meng, Dong ^[2]; Wu, Jianzhong ^[2]

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1. ORNL
2. University of California, Riverside

The differential capacitance of electric double layers in ionic liquids and its correlation with the surface charge density, ion size and concentration are studied within the framework of the classical density functional theory (DFT). As prescribed by previous analytical theories, DFT is able to reproduce the transition in the differential capacitance versus the surface potential curve from the 'camel' shape to the 'bell' shape when the ionic density increases. However, DFT predicts alternating layers of cations and anions at the charged surface that cannot be described by the classical Gouy-Chapman-Stern model and its modifications.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 1011013
• Journal Information: Chemical Physics Letters, Vol. 504, Issue 4-6; ISSN 0009-2614
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ANIONS
CAPACITANCE
CATIONS
CHARGE DENSITY
DENSITY FUNCTIONAL METHOD
FUNCTIONALS
MODIFICATIONS
MOLTEN SALTS
SHAPE
SURFACE POTENTIAL